AB-INITIO POTENTIAL-ENERGY CURVES OF RYDBERG, VALENCE AND CONTINUUM STATES OF NO

Citation
I. Rabadan et J. Tennyson, AB-INITIO POTENTIAL-ENERGY CURVES OF RYDBERG, VALENCE AND CONTINUUM STATES OF NO, Journal of physics. B, Atomic molecular and optical physics, 30(8), 1997, pp. 1975-1988
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
30
Issue
8
Year of publication
1997
Pages
1975 - 1988
Database
ISI
SICI code
0953-4075(1997)30:8<1975:APCORV>2.0.ZU;2-H
Abstract
Bound states and quasibound Rydberg states of NO are studied as a func tion of internuclear distances in the range 1.6-3.024 a(0). R-matrix c alculations which include 12 configuration interaction target states i n the close-coupling expansion are performed. Rydberg states of up to n = 10 are studied for the (2) Sigma(+), (2) Pi and (2) Delta symmetri es of NO. Intruder states, of both valence and Rydberg character, are followed both above and below the ionization threshold. Where possible these states are classified as Rydberg states of an excited state of the ion. Away from avoided crossings, it is found that the quantum def ects of the Rydberg series converging on the X (1) Sigma(+) state of N O+ show little sensitivity to bondlength but show considerable depende nce on the number of states included in the close-coupled expansion.